3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide

C16H17ClN2O — CID 107272767

IUPAC3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c17-14-6-3-4-12(10-14)11-19-16(20)9-8-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyACZYEADCOCMYFP-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.17
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide

3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide (PubChem CID 107272767) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
PubChem CID107272767
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c17-14-6-3-4-12(10-14)11-19-16(20)9-8-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyACZYEADCOCMYFP-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 120612277
3-(2-aminophenyl)-N-[[3-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
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3-(2-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide;dihydrochloride
CID 120612373
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
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3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
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N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide
CID 53160248
3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384868
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide (CID 107272767) is 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide is Nc1ccccc1CCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide?
The InChIKey is ACZYEADCOCMYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-14-6-3-4-12(10-14)11-19-16(20)9-8-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11,18H2,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide?
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide has a molecular weight of 288.78 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 107272767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).